per_residue_solvent_exposure.cc File Reference

Determines the per residue solvent exposure using one of the following methods: More...

#include <iostream>
#include <string>
#include <protocols/jd2/util.hh>
#include <devel/init.hh>
#include <utility/excn/Exceptions.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/import_pose/import_pose.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Atom.hh>
#include <core/chemical/util.hh>
#include <core/import_pose/pose_stream/MetaPoseInputStream.hh>
#include <core/import_pose/pose_stream/util.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <basic/Tracer.hh>
#include <utility/io/izstream.hh>
#include <utility/file/FileName.hh>
#include <utility/vector1.hh>
#include <numeric/NumericTraits.hh>

Functions
void	sphere_FA_nc_calculator (pose::Pose pose, core::Real distance_fn_midpoint, core::Real distance_fn_steepness)
void	sphere_FA_nc_anyatom_calculator (pose::Pose pose, core::Real distance_fn_midpoint, core::Real distance_fn_steepness)
void	sphere_cen_nc_calculator (pose::Pose pose, core::Real distance_fn_midpoint, core::Real distance_fn_steepness)
void	cone_FA_nc_calculator (pose::Pose pose, core::Real distance_fn_midpoint, core::Real distance_fn_steepness, core::Real angle_fn_midpoint, core::Real angle_fn_steepness)
void	cone_FA_nc_anyatom_calculator (pose::Pose pose, core::Real distance_fn_midpoint, core::Real distance_fn_steepness, core::Real angle_fn_midpoint, core::Real angle_fn_steepness)
void	cone_cen_nc_calculator (pose::Pose pose, core::Real distance_fn_midpoint, core::Real distance_fn_steepness, core::Real angle_fn_midpoint, core::Real angle_fn_steepness)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.public.analysis.per_residue_solvent_exposure")

Detailed Description

Determines the per residue solvent exposure using one of the following methods:

Function Documentation

void cone_cen_nc_calculator	(	pose::Pose	pose,
		core::Real	distance_fn_midpoint,
		core::Real	distance_fn_steepness,
		core::Real	angle_fn_midpoint,
		core::Real	angle_fn_steepness
	)

References basic::options::OptionKeys::hotspot::angle, numeric::xyzVector< typename >::dot(), basic::options::OptionKeys::hotspot::target, and TR.

Referenced by main().

void cone_FA_nc_anyatom_calculator	(	pose::Pose	pose,
		core::Real	distance_fn_midpoint,
		core::Real	distance_fn_steepness,
		core::Real	angle_fn_midpoint,
		core::Real	angle_fn_steepness
	)

References basic::options::OptionKeys::hotspot::angle, numeric::xyzVector< typename >::dot(), and TR.

Referenced by main().

void cone_FA_nc_calculator	(	pose::Pose	pose,
		core::Real	distance_fn_midpoint,
		core::Real	distance_fn_steepness,
		core::Real	angle_fn_midpoint,
		core::Real	angle_fn_steepness
	)

References basic::options::OptionKeys::hotspot::angle, numeric::xyzVector< typename >::dot(), and TR.

Referenced by main().

int main	(	int	argc,
		char *	argv[]
	)

References in::file::centroid(), cone_cen_nc_calculator(), cone_FA_nc_anyatom_calculator(), cone_FA_nc_calculator(), utility::excn::Exception::display(), test.T009_Exceptions::e, devel::init(), NEW_OPT, option, options, demo.D010_Pose_structure::pose, pyrosetta.distributed.io::pose_from_file, in::file::s(), basic::options::OptionKeys::frags::scoring::scoring, sphere_cen_nc_calculator(), sphere_FA_nc_anyatom_calculator(), sphere_FA_nc_calculator(), basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.

void sphere_cen_nc_calculator	(	pose::Pose	pose,
		core::Real	distance_fn_midpoint,
		core::Real	distance_fn_steepness
	)

References distance(), basic::options::OptionKeys::hotspot::target, and TR.

Referenced by main().

void sphere_FA_nc_anyatom_calculator	(	pose::Pose	pose,
		core::Real	distance_fn_midpoint,
		core::Real	distance_fn_steepness
	)

References distance(), and TR.

Referenced by main().

void sphere_FA_nc_calculator	(	pose::Pose	pose,
		core::Real	distance_fn_midpoint,
		core::Real	distance_fn_steepness
	)

References distance(), and TR.

Referenced by main().

Variable Documentation

basic::Tracer TR("apps.public.analysis.per_residue_solvent_exposure")

static

Referenced by cone_cen_nc_calculator(), cone_FA_nc_anyatom_calculator(), cone_FA_nc_calculator(), sphere_cen_nc_calculator(), sphere_FA_nc_anyatom_calculator(), and sphere_FA_nc_calculator().